YKK

2-methyl-5-oxidanyl-cyclohexa-2,5-diene-1,4-dione

Created:	2023-12-05
Last modified:	2024-08-28

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1 entries where YKK is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	16
Chiral Atom Count	0
Bond Count	16
Aromatic Bond Count	0

2D diagram of YKK

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Chemical Component Summary
Name	2-methyl-5-oxidanyl-cyclohexa-2,5-diene-1,4-dione
Systematic Name (OpenEye OEToolkits)	2-methyl-5-oxidanyl-cyclohexa-2,5-diene-1,4-dione
Formula	C₇ H₆ O₃
Molecular Weight	138.121
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC1=CC(=O)C(=CC1=O)O
SMILES	OpenEye OEToolkits	2.0.7	CC1=CC(=O)C(=CC1=O)O
Canonical SMILES	CACTVS	3.385	CC1=CC(=O)C(=CC1=O)O
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC1=CC(=O)C(=CC1=O)O
InChI	InChI	1.06	InChI=1S/C7H6O3/c1-4-2-6(9)7(10)3-5(4)8/h2-3,10H,1H3
InChIKey	InChI	1.06	BMBZVGUSOUAIMK-UHFFFAOYSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.